Geometry & MOs

Info

ID:	121777
PubChem CID:	50781094
Reduced:	ClO2N5C21H22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	411.146203
ΔH_f, kcal/mol:	-17.8
Dipole, Da:	3.92
IP(EA), eV:	-8.51(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=CC=N2)N=C(C1=O)N3CCC(CC3)C(=O)NCC4=CC=CC=C4Cl

DOS

IR

Vibrations